Controlling guest conformation for efficient purification of butadiene

• Published in: Science (American Association for the Advancement of Science) Vol. 356; no. 6343; pp. 1193 - 1196
• Main Authors: Liao, Pei-Qin, Huang, Ning-Yu, Zhang, Wei-Xiong, Zhang, Jie-Peng, Chen, Xiao-Ming
• Format: Journal Article
• Language: English
• Published: United States American Association for the Advancement of Science 16.06.2017
• Subjects: Butadienes - isolation & purification; Chemistry Techniques, Analytical - methods; Computer Simulation; Crystallography, X-Ray; Metal-Organic Frameworks - chemistry; Molecular Conformation; Temperature

Conventional adsorbents preferentially adsorb the small, high-polarity, and unsaturated 1,3-butadiene molecule over the other C₄ hydrocarbons from which it must be separated. We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn₂(b...